[molpro-user] Problem with molpro 2010.1.26 mpp and torque 3.0.5

[Andy May]

Fabricio,

Can you try with the latest binaries (2010.1.28)?

Best wishes,

Andy

On 17/07/13 22:00, Fabricio Cannini wrote:
> Hello there !
>
> I have a cluster running centos 5.8 x86-64 , with the precompiled
> version above installed . Torque is working fine with every other
> software installed on the machine, except molpro . Password-less SSH is
> working fine, and RSH too .
>
> I can run molro directly in a shell both on the head-node and on a node,
> logging by SSH or RSH . The problem happens only when running molpro
> through torque, both as a batch job, or as an interactive job .
>
> I know that this problem has been reported before, but all the
> suggestions i have found so far haven't been helpful for my case .
>
> This is the error messages when i submit an interactive job :
>
> =======================
>
> $ molpro -n 4 -d /scratch/user/8985.host.name -L
> /export/apps/softwares/intel/11.0/molpro/2010.1.26/lib < agua-orb-save.inp
> tmp =
> /home/user/pdir//export/apps/softwares/intel/2011/molpro/2010.1.26/bin/molpro.exe.p
>
>   Creating: host=compute-2-5, user=user,
>
> file=/export/apps/softwares/intel/2011/molpro/2010.1.26/bin/molpro.exe,
> port=48589
>   Creating: host=compute-2-5, user=user,
>
> file=/export/apps/softwares/intel/2011/molpro/2010.1.26/bin/molpro.exe,
> port=38656
>   Creating: host=compute-2-5, user=user,
>
> file=/export/apps/softwares/intel/2011/molpro/2010.1.26/bin/molpro.exe,
> port=33625
>   Creating: host=compute-2-5, user=user,
>
> file=/export/apps/softwares/intel/2011/molpro/2010.1.26/bin/molpro.exe,
> port=39916
> forrtl: severe (64): input conversion error, unit -5, file Internal
> Formatted Read
> Image    PC      Routine       Line        Source
> molpro.exe    00000000035BE63A  Unknown     Unknown  Unknown
> molpro.exe    00000000035BD1B5  Unknown     Unknown  Unknown
> molpro.exe    00000000034E7DF6  Unknown     Unknown  Unknown
> molpro.exe    000000000347E155  Unknown     Unknown  Unknown
> molpro.exe    000000000347D911  Unknown     Unknown  Unknown
> molpro.exe    00000000034A0DFB  Unknown     Unknown  Unknown
> molpro.exe    000000000349F4C0  Unknown     Unknown  Unknown
> molpro.exe    00000000004A9BA9  Unknown     Unknown  Unknown
> molpro.exe    00000000004A7186  Unknown     Unknown  Unknown
> molpro.exe    00000000004A54ED  Unknown     Unknown  Unknown
> molpro.exe    000000000049646F  Unknown     Unknown  Unknown
> molpro.exe    0000000000400655  Unknown     Unknown  Unknown
> molpro.exe    00000000004005FC  Unknown     Unknown  Unknown
> molpro.exe    00000000035DAF1B  Unknown     Unknown  Unknown
> molpro.exe    00000000004004C9  Unknown     Unknown  Unknown
>    4: interrupt(1)
>    2: ARMCI aborting 2 (0x2).
>    3: ARMCI aborting 2 (0x2).
>    2: ARMCI aborting 2 (0x2).
>    1: ARMCI aborting 2 (0x2).
>    1: ARMCI aborting 2 (0x2).
>    3: ARMCI aborting 2 (0x2).
> WaitAll: No children or error in wait?
>
> =====================
>
> Any suggestions to what am I doing wrong ?
>
>
> TIA
> Fabricio
> _______________________________________________
> Molpro-user mailing list
> Molpro-user at molpro.net
> http://www.molpro.net/mailman/listinfo/molpro-user